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Chemical ID: 5404047
Chemical ID:
5404047
Name [?]:
N-(2,5-dichlorophenyl)-2-(p-tolylsulfonyl)acetamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C15H13Cl2NO3S/c1-10-2-5-12(6-3-10)22(20,21)9-15(19)18-14-8-11(16)4-7-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,7,18,4,6,19,16,11,2,17,5,20,15,12,22,21,14,13,9,10,8/E:(2,3)(5,6)(20,21)/CRV:22.6/rA:22nCCCCCCCSOOCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.11385 |
Area: | 542.569 |
Solvation: | -4.45037 |
Coulombic: | -23.6264 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 358.24 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.34 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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